(4S)-2,2,4-trimethyl-1,3-dioxane

C7H14O2 — CID 12587732

IUPAC(4S)-2,2,4-trimethyl-1,3-dioxane
SMILESC[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C7H14O2/c1-6-4-5-8-7(2,3)9-6/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJINWMPBLUUKRSV-LURJTMIESA-N
MW130.19 g/mol
LogP1.55
Rot. Bonds

About (4S)-2,2,4-trimethyl-1,3-dioxane

(4S)-2,2,4-trimethyl-1,3-dioxane (PubChem CID 12587732) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is (4S)-2,2,4-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4S)-2,2,4-trimethyl-1,3-dioxane
PubChem CID12587732
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name(4S)-2,2,4-trimethyl-1,3-dioxane
SMILESC[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C7H14O2/c1-6-4-5-8-7(2,3)9-6/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyJINWMPBLUUKRSV-LURJTMIESA-N
XLogP1.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2,2,4-trimethyl-1,3-dioxane?
The IUPAC name of (4S)-2,2,4-trimethyl-1,3-dioxane (CID 12587732) is (4S)-2,2,4-trimethyl-1,3-dioxane.
What is the SMILES notation for (4S)-2,2,4-trimethyl-1,3-dioxane?
The canonical SMILES for (4S)-2,2,4-trimethyl-1,3-dioxane is C[C@H]1CCOC(C)(C)O1.
What is the InChIKey of (4S)-2,2,4-trimethyl-1,3-dioxane?
The InChIKey is JINWMPBLUUKRSV-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O2/c1-6-4-5-8-7(2,3)9-6/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (4S)-2,2,4-trimethyl-1,3-dioxane?
(4S)-2,2,4-trimethyl-1,3-dioxane has a molecular weight of 130.19 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2,4-trimethyl-1,3-dioxane is sourced from PubChem (CID 12587732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).